Geometry & MOs

Info

ID:	178181
PubChem CID:	76290667
Reduced:	O2N5C28H31 (1)
Stoich.:	A2B5C28D31 (1)
Weight, g/mol:	483.252192
ΔH_f, kcal/mol:	39.33
Dipole, Da:	1.12
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl)piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CN(CCCC1CC(NN1)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)OCC4=CN5C=CC=CC5=N4

DOS

IR

Vibrations